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1. ParmEd ParmEd Public

   Forked from ParmEd/ParmEd

   Parameter/topology editor and molecular simulator

   Python

2. PyLAT PyLAT Public

   Forked from MaginnGroup/PyLAT

   Python

3. pymatgen pymatgen Public

   Forked from materialsproject/pymatgen

   Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…

   HTML

4. molmd/mispr molmd/mispr Public

   A software for automating materials science computations

   Python 34 8

5. molmd/mdproptools molmd/mdproptools Public

   A Python package for LAMMPS analysis tools

   Python 14 2